Home Nitriles 4-Iodophthalonitrile

4-Iodophthalonitrile

CAS No.:
69518-17-8
Catalog Number:
AG00342Y
Molecular Formula:
C8H3IN2
Molecular Weight:
254.0273
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Product Description
Catalog Number:
AG00342Y
Chemical Name:
4-Iodophthalonitrile
CAS Number:
69518-17-8
Molecular Formula:
C8H3IN2
Molecular Weight:
254.0273
MDL Number:
MFCD01863730
IUPAC Name:
4-iodobenzene-1,2-dicarbonitrile
InChI:
InChI=1S/C8H3IN2/c9-8-2-1-6(4-10)7(3-8)5-11/h1-3H
InChI Key:
OOHQHYJZUSXMFD-UHFFFAOYSA-N
SMILES:
N#Cc1cc(I)ccc1C#N
Properties
Complexity:
231  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.934g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.03g/mol
Monoisotopic Mass:
253.934g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties